4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile

C8H9N5 — CID 91433869

IUPAC4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(C2CC2)nc1N
InChIInChI=1S/C8H9N5/c9-3-5-6(10)12-8(4-1-2-4)13-7(5)11/h4H,1-2H2,(H4,10,11,12,13)
InChIKeyNBPMTHUDPHILDD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.39
Rot. Bonds1

About 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile

4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile (PubChem CID 91433869) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile
PubChem CID91433869
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(C2CC2)nc1N
InChIInChI=1S/C8H9N5/c9-3-5-6(10)12-8(4-1-2-4)13-7(5)11/h4H,1-2H2,(H4,10,11,12,13)
InChIKeyNBPMTHUDPHILDD-UHFFFAOYSA-N
XLogP0.39
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile (CID 91433869) is 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile is N#Cc1c(N)nc(C2CC2)nc1N.
What is the InChIKey of 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile?
The InChIKey is NBPMTHUDPHILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-3-5-6(10)12-8(4-1-2-4)13-7(5)11/h4H,1-2H2,(H4,10,11,12,13).
What are the key properties of 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile?
4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-cyclopropylpyrimidine-5-carbonitrile is sourced from PubChem (CID 91433869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).