6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C10H8ClN7 — CID 114111933

IUPAC6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccncn2)c2cn[nH]c2n1
InChIInChI=1S/C10H8ClN7/c11-10-16-8(7-4-15-18-9(7)17-10)13-3-6-1-2-12-5-14-6/h1-2,4-5H,3H2,(H2,13,15,16,17,18)
InChIKeyQGTSGIGNALDMGE-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.41
Rot. Bonds3

About 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114111933) has the molecular formula C10H8ClN7 and a molecular weight of 261.68 g/mol. Its IUPAC name is 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID114111933
Molecular FormulaC10H8ClN7
Molecular Weight261.68 g/mol
Exact Mass261.05
IUPAC Name6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1nc(NCc2ccncn2)c2cn[nH]c2n1
InChIInChI=1S/C10H8ClN7/c11-10-16-8(7-4-15-18-9(7)17-10)13-3-6-1-2-12-5-14-6/h1-2,4-5H,3H2,(H2,13,15,16,17,18)
InChIKeyQGTSGIGNALDMGE-UHFFFAOYSA-N
XLogP1.41
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134480862
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 82748227
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114156733
6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106195516
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106193592
4-chloro-N-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 114111931
6-chloro-N-(4-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 71945239
6-bromo-2-chloro-5-fluoro-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114465
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 114112685
2-[2-chloro-8-methoxy-6-(pyrimidin-4-ylmethylamino)purin-9-yl]ethanol
CID 134480935

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 114111933) is 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1nc(NCc2ccncn2)c2cn[nH]c2n1.
What is the InChIKey of 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QGTSGIGNALDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7/c11-10-16-8(7-4-15-18-9(7)17-10)13-3-6-1-2-12-5-14-6/h1-2,4-5H,3H2,(H2,13,15,16,17,18).
What are the key properties of 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 261.68 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).