N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine

C14H19N5 — CID 116975951

IUPACN-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1c[nH]c(-c2cnc(NCCC3CCCN3)nc2)c1
InChIInChI=1S/C14H19N5/c1-3-12(15-6-1)5-8-17-14-18-9-11(10-19-14)13-4-2-7-16-13/h2,4,7,9-10,12,15-16H,1,3,5-6,8H2,(H,17,18,19)
InChIKeyXEMCKAMIIXXMMC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds5

About N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine

N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine (PubChem CID 116975951) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
PubChem CID116975951
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1c[nH]c(-c2cnc(NCCC3CCCN3)nc2)c1
InChIInChI=1S/C14H19N5/c1-3-12(15-6-1)5-8-17-14-18-9-11(10-19-14)13-4-2-7-16-13/h2,4,7,9-10,12,15-16H,1,3,5-6,8H2,(H,17,18,19)
InChIKeyXEMCKAMIIXXMMC-UHFFFAOYSA-N
XLogP2.03
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116975975
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116974667
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine (CID 116975951) is N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine is c1c[nH]c(-c2cnc(NCCC3CCCN3)nc2)c1.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The InChIKey is XEMCKAMIIXXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-12(15-6-1)5-8-17-14-18-9-11(10-19-14)13-4-2-7-16-13/h2,4,7,9-10,12,15-16H,1,3,5-6,8H2,(H,17,18,19).
What are the key properties of N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine?
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 116975951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).