2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine

C12H21N5 — CID 131930538

IUPAC2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCCCC1CNc1nccc(N)n1
InChIInChI=1S/C12H21N5/c1-2-17-8-4-3-5-10(17)9-15-12-14-7-6-11(13)16-12/h6-7,10H,2-5,8-9H2,1H3,(H3,13,14,15,16)
InChIKeyZALAPQRVXCVXAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.35
Rot. Bonds4

About 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine

2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 131930538) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID131930538
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCCCC1CNc1nccc(N)n1
InChIInChI=1S/C12H21N5/c1-2-17-8-4-3-5-10(17)9-15-12-14-7-6-11(13)16-12/h6-7,10H,2-5,8-9H2,1H3,(H3,13,14,15,16)
InChIKeyZALAPQRVXCVXAO-UHFFFAOYSA-N
XLogP1.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-(azepan-1-yl)-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66903623
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80773177
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
4-(azepan-1-yl)-N-[[1-(2-ethylbutyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903067
5-(2,4-difluorophenyl)-N-[(1-ethylpiperidin-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 170925575
4-(azepan-1-yl)-N-[(1-hexylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66904014
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598
4-(azepan-1-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903722

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine (CID 131930538) is 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine is CCN1CCCCC1CNc1nccc(N)n1.
What is the InChIKey of 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZALAPQRVXCVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-17-8-4-3-5-10(17)9-15-12-14-7-6-11(13)16-12/h6-7,10H,2-5,8-9H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine?
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 131930538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).