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

C15H21N5 — CID 80968110

IUPAC4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C15H21N5/c1-11(2)15-18-13(16)10-14(19-15)20(3)9-6-12-4-7-17-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,18,19)
InChIKeyORAHROQFLOQKMB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.26
Rot. Bonds5

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

4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80968110) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80968110
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C15H21N5/c1-11(2)15-18-13(16)10-14(19-15)20(3)9-6-12-4-7-17-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,18,19)
InChIKeyORAHROQFLOQKMB-UHFFFAOYSA-N
XLogP2.26
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957937
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80956167
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
4-N,2-dimethyl-6-N-(3-methylbutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874371
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80968110) is 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CC(C)c1nc(N)cc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ORAHROQFLOQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)15-18-13(16)10-14(19-15)20(3)9-6-12-4-7-17-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,18,19).
What are the key properties of 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80968110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).