2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride

C16H28ClN5O — CID 154897378

IUPAC2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11(19-15(22)9-17)14-10-18-16(20-12(14)2)21(3)13-7-5-4-6-8-13;/h10-11,13H,4-9,17H2,1-3H3,(H,19,22);1H
InChIKeyJAYUPQJVPVVQPC-UHFFFAOYSA-N
MW341.89 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride

2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride (PubChem CID 154897378) has the molecular formula C16H28ClN5O and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride
PubChem CID154897378
Molecular FormulaC16H28ClN5O
Molecular Weight341.89 g/mol
Exact Mass341.20
IUPAC Name2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11(19-15(22)9-17)14-10-18-16(20-12(14)2)21(3)13-7-5-4-6-8-13;/h10-11,13H,4-9,17H2,1-3H3,(H,19,22);1H
InChIKeyJAYUPQJVPVVQPC-UHFFFAOYSA-N
XLogP2.11
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride (CID 154897378) is 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN.Cl.
What is the InChIKey of 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride?
The InChIKey is JAYUPQJVPVVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.ClH/c1-11(19-15(22)9-17)14-10-18-16(20-12(14)2)21(3)13-7-5-4-6-8-13;/h10-11,13H,4-9,17H2,1-3H3,(H,19,22);1H.
What are the key properties of 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride?
2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 154897378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).