N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

C21H25N7 — CID 140626228

IUPACN-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCCC(C)Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C21H25N7/c1-3-14(2)25-21-24-13-17(19(28-21)12-15-4-5-15)18-8-11-23-20(27-18)26-16-6-9-22-10-7-16/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
InChIKeyCXGIZUAFMPUARL-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.24
Rot. Bonds8

About N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 140626228) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID140626228
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCCC(C)Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C21H25N7/c1-3-14(2)25-21-24-13-17(19(28-21)12-15-4-5-15)18-8-11-23-20(27-18)26-16-6-9-22-10-7-16/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
InChIKeyCXGIZUAFMPUARL-UHFFFAOYSA-N
XLogP4.24
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[4-(cyclopropylmethyl)-2-methylsulfanylpyrimidin-5-yl]-N-pyridin-4-ylpyrimidin-2-amine
CID 67983858
5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
CID 57404842
5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-amine
CID 140626230
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
[2-(butan-2-ylamino)pyrimidin-4-yl]methanol
CID 131110301
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602
4-N-butan-2-yl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 112883635

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (CID 140626228) is N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is CCC(C)Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1.
What is the InChIKey of N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is CXGIZUAFMPUARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-3-14(2)25-21-24-13-17(19(28-21)12-15-4-5-15)18-8-11-23-20(27-18)26-16-6-9-22-10-7-16/h6-11,13-15H,3-5,12H2,1-2H3,(H,24,25,28)(H,22,23,26,27).
What are the key properties of N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 140626228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).