4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine

C14H22N4 — CID 80836336

IUPAC4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H22N4/c1-10-7-16-14(15-2)17-13(10)18(8-11-3-4-11)9-12-5-6-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWEFRVHBSOBOZMS-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.45
Rot. Bonds6

About 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine

4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80836336) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80836336
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C14H22N4/c1-10-7-16-14(15-2)17-13(10)18(8-11-3-4-11)9-12-5-6-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWEFRVHBSOBOZMS-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80799404
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496
4-(2-cyclopropylethoxy)-N,5-dimethylpyrimidin-2-amine
CID 106207519
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
N,N-bis(cyclopropylmethyl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636371
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325739
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80836336) is 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is WEFRVHBSOBOZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-7-16-14(15-2)17-13(10)18(8-11-3-4-11)9-12-5-6-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80836336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).