N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine

C16H28N4 — CID 106643142

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CC2CCCNC2)C(C)C)ncn1
InChIInChI=1S/C16H28N4/c1-4-6-15-9-16(19-12-18-15)20(13(2)3)11-14-7-5-8-17-10-14/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyNLWYRLKEJVRGNO-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.64
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine

N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine (PubChem CID 106643142) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
PubChem CID106643142
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N(CC2CCCNC2)C(C)C)ncn1
InChIInChI=1S/C16H28N4/c1-4-6-15-9-16(19-12-18-15)20(13(2)3)11-14-7-5-8-17-10-14/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyNLWYRLKEJVRGNO-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 63388681
3-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 106642983
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
7-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106643203
4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643233
N,6-diethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643375
4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643074

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine (CID 106643142) is N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine is CCCc1cc(N(CC2CCCNC2)C(C)C)ncn1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
The InChIKey is NLWYRLKEJVRGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-6-15-9-16(19-12-18-15)20(13(2)3)11-14-7-5-8-17-10-14/h9,12-14,17H,4-8,10-11H2,1-3H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine?
N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 106643142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).