N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

C11H18N4 — CID 60667125

IUPACN-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESc1cnc(NCCCN2CCCC2)nc1
InChIInChI=1S/C11H18N4/c1-2-9-15(8-1)10-4-7-14-11-12-5-3-6-13-11/h3,5-6H,1-2,4,7-10H2,(H,12,13,14)
InChIKeyUDMYTFBNLGQMPA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 60667125) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
PubChem CID60667125
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESc1cnc(NCCCN2CCCC2)nc1
InChIInChI=1S/C11H18N4/c1-2-9-15(8-1)10-4-7-14-11-12-5-3-6-13-11/h3,5-6H,1-2,4,7-10H2,(H,12,13,14)
InChIKeyUDMYTFBNLGQMPA-UHFFFAOYSA-N
XLogP1.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-1H-imidazol-2-amine
CID 106572055
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
4-(azepan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66903021
4-(azocan-1-yl)-N-(3-pyrrolidin-1-ylpropyl)quinazolin-2-amine
CID 66902985
5-[2-(3-aminophenyl)ethynyl]-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 59198333
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (CID 60667125) is N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is c1cnc(NCCCN2CCCC2)nc1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is UDMYTFBNLGQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-9-15(8-1)10-4-7-14-11-12-5-3-6-13-11/h3,5-6H,1-2,4,7-10H2,(H,12,13,14).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 60667125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).