4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile

C8H10N6 — CID 3081364

IUPAC4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(NC2CC2)nc1N
InChIInChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
InChIKeyPKTIFYGCWCQRSX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.09
Rot. Bonds2

About 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile

4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile (PubChem CID 3081364) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
PubChem CID3081364
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(NC2CC2)nc1N
InChIInChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
InChIKeyPKTIFYGCWCQRSX-UHFFFAOYSA-N
XLogP0.09
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile (CID 3081364) is 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(NC2CC2)nc1N.
What is the InChIKey of 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
The InChIKey is PKTIFYGCWCQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14).
What are the key properties of 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile?
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 3081364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).