5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C21H32N6 — CID 174850321

IUPAC5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(NC2CCN(CC(C)C)CC2)c1C
InChIInChI=1S/C21H32N6/c1-15(2)14-27-11-8-18(9-12-27)25-20-16(3)17(4)24-21(26-20)23-13-19-7-5-6-10-22-19/h5-7,10,15,18H,8-9,11-14H2,1-4H3,(H2,23,24,25,26)
InChIKeyQITYFRKENBZURO-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.63
Rot. Bonds7

About 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 174850321) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID174850321
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(NC2CCN(CC(C)C)CC2)c1C
InChIInChI=1S/C21H32N6/c1-15(2)14-27-11-8-18(9-12-27)25-20-16(3)17(4)24-21(26-20)23-13-19-7-5-6-10-22-19/h5-7,10,15,18H,8-9,11-14H2,1-4H3,(H2,23,24,25,26)
InChIKeyQITYFRKENBZURO-UHFFFAOYSA-N
XLogP3.63
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 71738479
tert-butyl formate;5,6-dimethyl-4-N-piperidin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174740834
2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
CID 71738408
4-N-(4,4-difluorocyclohexyl)-5,6-dimethyl-2-N-[(4-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 71738409
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749
4-N-cyclohexyl-5,6-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 71738340
4-N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)quinazoline-2,4-diamine
CID 58006191
ethyl 4-[[3-(pyridin-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112952020
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 174850321) is 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1nc(NCc2ccccn2)nc(NC2CCN(CC(C)C)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QITYFRKENBZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-15(2)14-27-11-8-18(9-12-27)25-20-16(3)17(4)24-21(26-20)23-13-19-7-5-6-10-22-19/h5-7,10,15,18H,8-9,11-14H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 368.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).