2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine

C22H30N8 — CID 144818082

IUPAC2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc([C@H]2CC[C@H]2c2ccccc2)nc(NC)n1.CNc1ccnc(NC)n1
InChIInChI=1S/C16H20N4.C6H10N4/c1-17-15-10-14(19-16(18-2)20-15)13-9-8-12(13)11-6-4-3-5-7-11;1-7-5-3-4-9-6(8-2)10-5/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,19,20);3-4H,1-2H3,(H2,7,8,9,10)/t12-,13-;/m0./s1
InChIKeyXEJHBAMNIHDUQF-QNTKWALQSA-N
MW406.54 g/mol
LogP3.78
Rot. Bonds6

About 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine

2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 144818082) has the molecular formula C22H30N8 and a molecular weight of 406.54 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID144818082
Molecular FormulaC22H30N8
Molecular Weight406.54 g/mol
Exact Mass406.26
IUPAC Name2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc([C@H]2CC[C@H]2c2ccccc2)nc(NC)n1.CNc1ccnc(NC)n1
InChIInChI=1S/C16H20N4.C6H10N4/c1-17-15-10-14(19-16(18-2)20-15)13-9-8-12(13)11-6-4-3-5-7-11;1-7-5-3-4-9-6(8-2)10-5/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,19,20);3-4H,1-2H3,(H2,7,8,9,10)/t12-,13-;/m0./s1
InChIKeyXEJHBAMNIHDUQF-QNTKWALQSA-N
XLogP3.78
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-diethyl-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-diethylpyrimidine-2,4-diamine
CID 144818068
4-(2-aminoethylsulfanyl)-N-methyl-6-(2-phenylcyclobutyl)pyrimidin-2-amine;4-(2-aminoethylsulfanyl)-N-methylpyrimidin-2-amine;benzene
CID 144817990
2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 144818020
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
CID 144817888
N-benzyl-2-chloro-6-[(1S)-2-phenylcyclobutyl]pyrimidin-4-amine;2,4-dichloropyrimidine
CID 144817965
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid
CID 174795898
4-N-(2,2-dimethylcyclopropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80816176
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 144818082) is 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1cc([C@H]2CC[C@H]2c2ccccc2)nc(NC)n1.CNc1ccnc(NC)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is XEJHBAMNIHDUQF-QNTKWALQSA-N. The full InChI is InChI=1S/C16H20N4.C6H10N4/c1-17-15-10-14(19-16(18-2)20-15)13-9-8-12(13)11-6-4-3-5-7-11;1-7-5-3-4-9-6(8-2)10-5/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,19,20);3-4H,1-2H3,(H2,7,8,9,10)/t12-,13-;/m0./s1.
What are the key properties of 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 406.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-[(1S,2R)-2-phenylcyclobutyl]pyrimidine-2,4-diamine;2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 144818082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).