4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile

C9H11N5 — CID 152510354

IUPAC4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-4-2-8(14-9)13-7-1-3-11-6-7/h2,4,7,11H,1,3,6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyYFJHDPBAAJESMX-SSDOTTSWSA-N
MW189.22 g/mol
LogP0.12
Rot. Bonds2

About 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile

4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 152510354) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
PubChem CID152510354
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C9H11N5/c10-5-9-12-4-2-8(14-9)13-7-1-3-11-6-7/h2,4,7,11H,1,3,6H2,(H,12,13,14)/t7-/m1/s1
InChIKeyYFJHDPBAAJESMX-SSDOTTSWSA-N
XLogP0.12
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile (CID 152510354) is 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile is N#Cc1nccc(N[C@@H]2CCNC2)n1.
What is the InChIKey of 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile?
The InChIKey is YFJHDPBAAJESMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N5/c10-5-9-12-4-2-8(14-9)13-7-1-3-11-6-7/h2,4,7,11H,1,3,6H2,(H,12,13,14)/t7-/m1/s1.
What are the key properties of 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile?
4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 152510354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).