N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C16H23N5 — CID 61240350

IUPACN'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)c1cc(N(CCCN)Cc2cccnc2)ncn1
InChIInChI=1S/C16H23N5/c1-13(2)15-9-16(20-12-19-15)21(8-4-6-17)11-14-5-3-7-18-10-14/h3,5,7,9-10,12-13H,4,6,8,11,17H2,1-2H3
InChIKeyQHWANFITIJUIRL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds7

About N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 61240350) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID61240350
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)c1cc(N(CCCN)Cc2cccnc2)ncn1
InChIInChI=1S/C16H23N5/c1-13(2)15-9-16(20-12-19-15)21(8-4-6-17)11-14-5-3-7-18-10-14/h3,5,7,9-10,12-13H,4,6,8,11,17H2,1-2H3
InChIKeyQHWANFITIJUIRL-UHFFFAOYSA-N
XLogP2.35
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-aminopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80754888
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240927
3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80916650
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270798
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270849
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
4-[3-aminopropyl(pyridin-3-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136972455
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719

Frequently Asked Questions

What is the IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 61240350) is N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CC(C)c1cc(N(CCCN)Cc2cccnc2)ncn1.
What is the InChIKey of N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is QHWANFITIJUIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(2)15-9-16(20-12-19-15)21(8-4-6-17)11-14-5-3-7-18-10-14/h3,5,7,9-10,12-13H,4,6,8,11,17H2,1-2H3.
What are the key properties of N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61240350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).