4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C18H31N5O — CID 126424059

IUPAC4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCCN(C)C1(CNc2cc([C@H]3CCOC3)nc(N)n2)CCCCC1
InChIInChI=1S/C18H31N5O/c1-3-23(2)18(8-5-4-6-9-18)13-20-16-11-15(21-17(19)22-16)14-7-10-24-12-14/h11,14H,3-10,12-13H2,1-2H3,(H3,19,20,21,22)/t14-/m0/s1
InChIKeyMEBYQBJGJASIAK-AWEZNQCLSA-N
MW333.48 g/mol
LogP2.63
Rot. Bonds6

About 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126424059) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126424059
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCCN(C)C1(CNc2cc([C@H]3CCOC3)nc(N)n2)CCCCC1
InChIInChI=1S/C18H31N5O/c1-3-23(2)18(8-5-4-6-9-18)13-20-16-11-15(21-17(19)22-16)14-7-10-24-12-14/h11,14H,3-10,12-13H2,1-2H3,(H3,19,20,21,22)/t14-/m0/s1
InChIKeyMEBYQBJGJASIAK-AWEZNQCLSA-N
XLogP2.63
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 119061126
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125178207
4-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125160881
6-(3-aminocyclobutyl)-N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]pyrimidin-4-amine
CID 91787840
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
4-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452686
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126434940
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126424059) is 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is CCN(C)C1(CNc2cc([C@H]3CCOC3)nc(N)n2)CCCCC1.
What is the InChIKey of 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is MEBYQBJGJASIAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-23(2)18(8-5-4-6-9-18)13-20-16-11-15(21-17(19)22-16)14-7-10-24-12-14/h11,14H,3-10,12-13H2,1-2H3,(H3,19,20,21,22)/t14-/m0/s1.
What are the key properties of 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 333.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126424059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).