N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline

C15H18N4 — CID 62747482

IUPACN-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
SMILESc1cc(NCc2ccncn2)cc(N2CCCC2)c1
InChIInChI=1S/C15H18N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)17-11-14-6-7-16-12-18-14/h3-7,10,12,17H,1-2,8-9,11H2
InChIKeyYEPYQPNAXBNYDR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.69
Rot. Bonds4

About N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline

N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline (PubChem CID 62747482) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
PubChem CID62747482
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline
SMILESc1cc(NCc2ccncn2)cc(N2CCCC2)c1
InChIInChI=1S/C15H18N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)17-11-14-6-7-16-12-18-14/h3-7,10,12,17H,1-2,8-9,11H2
InChIKeyYEPYQPNAXBNYDR-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
2-[3-(pyrimidin-4-ylmethylamino)phenoxy]acetonitrile
CID 62749072
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743993

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline (CID 62747482) is N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline is c1cc(NCc2ccncn2)cc(N2CCCC2)c1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline?
The InChIKey is YEPYQPNAXBNYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-9-19(8-1)15-5-3-4-13(10-15)17-11-14-6-7-16-12-18-14/h3-7,10,12,17H,1-2,8-9,11H2.
What are the key properties of N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline?
N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline has a molecular weight of 254.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 62747482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).