N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide

C16H25N5O — CID 123867638

IUPACN-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1Nc1ncc(C)c(N(C)CC)n1
InChIInChI=1S/C16H25N5O/c1-5-14(22)18-12-8-7-9-13(12)19-16-17-10-11(3)15(20-16)21(4)6-2/h5,10,12-13H,1,6-9H2,2-4H3,(H,18,22)(H,17,19,20)
InChIKeyUBXZGEWAXRDCGP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.88
Rot. Bonds6

About N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide

N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide (PubChem CID 123867638) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
PubChem CID123867638
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1Nc1ncc(C)c(N(C)CC)n1
InChIInChI=1S/C16H25N5O/c1-5-14(22)18-12-8-7-9-13(12)19-16-17-10-11(3)15(20-16)21(4)6-2/h5,10,12-13H,1,6-9H2,2-4H3,(H,18,22)(H,17,19,20)
InChIKeyUBXZGEWAXRDCGP-UHFFFAOYSA-N
XLogP1.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide (CID 123867638) is N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1Nc1ncc(C)c(N(C)CC)n1.
What is the InChIKey of N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide?
The InChIKey is UBXZGEWAXRDCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-14(22)18-12-8-7-9-13(12)19-16-17-10-11(3)15(20-16)21(4)6-2/h5,10,12-13H,1,6-9H2,2-4H3,(H,18,22)(H,17,19,20).
What are the key properties of N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide?
N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide has a molecular weight of 303.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[ethyl(methyl)amino]-5-methylpyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide is sourced from PubChem (CID 123867638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).