5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80994228

IUPAC5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)c1ccncc1
InChIInChI=1S/C15H21N5/c1-9(2)14-19-13(16)10(3)15(20-14)18-11(4)12-5-7-17-8-6-12/h5-9,11H,1-4H3,(H3,16,18,19,20)
InChIKeyGHCHIVJLDUKIAS-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine

5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80994228) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80994228
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)c1ccncc1
InChIInChI=1S/C15H21N5/c1-9(2)14-19-13(16)10(3)15(20-14)18-11(4)12-5-7-17-8-6-12/h5-9,11H,1-4H3,(H3,16,18,19,20)
InChIKeyGHCHIVJLDUKIAS-UHFFFAOYSA-N
XLogP3.06
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986072
6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80906911
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
5-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80780923
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
5-methyl-2-propan-2-yl-6-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80977319
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80994228) is 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC(C)c1ccncc1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is GHCHIVJLDUKIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-9(2)14-19-13(16)10(3)15(20-14)18-11(4)12-5-7-17-8-6-12/h5-9,11H,1-4H3,(H3,16,18,19,20).
What are the key properties of 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).