2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine

C15H27N5 — CID 107441426

IUPAC2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(C)C(CN)CNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)13(10-16)11-19-14-4-8-20(9-5-14)15-17-6-3-7-18-15/h3,6-7,12-14,19H,4-5,8-11,16H2,1-2H3
InChIKeyADQAQCNUTQRBQU-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.27
Rot. Bonds6

About 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine

2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 107441426) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
PubChem CID107441426
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(C)C(CN)CNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)13(10-16)11-19-14-4-8-20(9-5-14)15-17-6-3-7-18-15/h3,6-7,12-14,19H,4-5,8-11,16H2,1-2H3
InChIKeyADQAQCNUTQRBQU-UHFFFAOYSA-N
XLogP1.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 107442737
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441997
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine (CID 107441426) is 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine is CC(C)C(CN)CNC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is ADQAQCNUTQRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)13(10-16)11-19-14-4-8-20(9-5-14)15-17-6-3-7-18-15/h3,6-7,12-14,19H,4-5,8-11,16H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine?
2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 107441426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).