N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

C9H14N4 — CID 89348963

IUPACN-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESc1cnc(CNC2CCNC2)nc1
InChIInChI=1S/C9H14N4/c1-3-11-9(12-4-1)7-13-8-2-5-10-6-8/h1,3-4,8,10,13H,2,5-7H2
InChIKeyCQXQYOBGCBUCPH-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.07
Rot. Bonds3

About N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine

N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 89348963) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID89348963
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
SMILESc1cnc(CNC2CCNC2)nc1
InChIInChI=1S/C9H14N4/c1-3-11-9(12-4-1)7-13-8-2-5-10-6-8/h1,3-4,8,10,13H,2,5-7H2
InChIKeyCQXQYOBGCBUCPH-UHFFFAOYSA-N
XLogP-0.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71304599
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636752
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
(3R)-N-[(3-methylsulfanylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71643397
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 71640491
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
N-(3-pyrimidin-2-ylpropyl)piperidin-4-amine;dihydrochloride
CID 18374724

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine (CID 89348963) is N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is c1cnc(CNC2CCNC2)nc1.
What is the InChIKey of N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is CQXQYOBGCBUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-11-9(12-4-1)7-13-8-2-5-10-6-8/h1,3-4,8,10,13H,2,5-7H2.
What are the key properties of N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine?
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 89348963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).