trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine

C17H20N6 — CID 171467394

IUPACtrans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
SMILESCc1[nH]nc2ccc(-c3ccnc(N[C@H]4CC[C@H](N)C4)n3)cc12
InChIInChI=1S/C17H20N6/c1-10-14-8-11(2-5-16(14)23-22-10)15-6-7-19-17(21-15)20-13-4-3-12(18)9-13/h2,5-8,12-13H,3-4,9,18H2,1H3,(H,22,23)(H,19,20,21)/t12-,13-/m0/s1
InChIKeyWENHKXALNQRFTQ-STQMWFEESA-N
MW308.39 g/mol
LogP2.62
Rot. Bonds3

About trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine (PubChem CID 171467394) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
PubChem CID171467394
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Nametrans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
SMILESCc1[nH]nc2ccc(-c3ccnc(N[C@H]4CC[C@H](N)C4)n3)cc12
InChIInChI=1S/C17H20N6/c1-10-14-8-11(2-5-16(14)23-22-10)15-6-7-19-17(21-15)20-13-4-3-12(18)9-13/h2,5-8,12-13H,3-4,9,18H2,1H3,(H,22,23)(H,19,20,21)/t12-,13-/m0/s1
InChIKeyWENHKXALNQRFTQ-STQMWFEESA-N
XLogP2.62
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 171467405
3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 171467378
trans-(1S,3S)-3-N-[4-(1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 171467414
4-N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine;hydrochloride
CID 166415972
3-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 164622173
5-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-fluorobenzonitrile
CID 166300470
cis-(1S,3R)-3-N-[6-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-4-methylquinazolin-2-yl]cyclopentane-1,3-diamine
CID 164734319
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
N-cycloheptyl-4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206403
[(1R,3S)-3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]cyclohexyl]methanol
CID 129387854
[3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]cyclohexyl]methanol
CID 59588209
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine (CID 171467394) is trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine is Cc1[nH]nc2ccc(-c3ccnc(N[C@H]4CC[C@H](N)C4)n3)cc12.
What is the InChIKey of trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The InChIKey is WENHKXALNQRFTQ-STQMWFEESA-N. The full InChI is InChI=1S/C17H20N6/c1-10-14-8-11(2-5-16(14)23-22-10)15-6-7-19-17(21-15)20-13-4-3-12(18)9-13/h2,5-8,12-13H,3-4,9,18H2,1H3,(H,22,23)(H,19,20,21)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[4-(3-methyl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171467394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).