5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine

C11H18ClN5 — CID 80800762

IUPAC5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(N)ncc2Cl)C1
InChIInChI=1S/C11H18ClN5/c1-2-17-5-3-4-8(7-17)15-10-9(12)6-14-11(13)16-10/h6,8H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyRLQQQJYHIFKSIV-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.61
Rot. Bonds3

About 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 80800762) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID80800762
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(N)ncc2Cl)C1
InChIInChI=1S/C11H18ClN5/c1-2-17-5-3-4-8(7-17)15-10-9(12)6-14-11(13)16-10/h6,8H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyRLQQQJYHIFKSIV-UHFFFAOYSA-N
XLogP1.61
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 80813553
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
3,5-dibromo-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 113413667
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 80800762) is 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine is CCN1CCCC(Nc2nc(N)ncc2Cl)C1.
What is the InChIKey of 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RLQQQJYHIFKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-2-17-5-3-4-8(7-17)15-10-9(12)6-14-11(13)16-10/h6,8H,2-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 255.75 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80800762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).