(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide

C14H21N5O — CID 131921982

IUPAC(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESNc1ncc(/C=C/C(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C14H21N5O/c15-14-17-10-12(11-18-14)4-5-13(20)16-6-3-9-19-7-1-2-8-19/h4-5,10-11H,1-3,6-9H2,(H,16,20)(H2,15,17,18)/b5-4+
InChIKeyWTLRXVNJQDAOLW-SNAWJCMRSA-N
MW275.36 g/mol
LogP0.67
Rot. Bonds6

About (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide

(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 131921982) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID131921982
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESNc1ncc(/C=C/C(=O)NCCCN2CCCC2)cn1
InChIInChI=1S/C14H21N5O/c15-14-17-10-12(11-18-14)4-5-13(20)16-6-3-9-19-7-1-2-8-19/h4-5,10-11H,1-3,6-9H2,(H,16,20)(H2,15,17,18)/b5-4+
InChIKeyWTLRXVNJQDAOLW-SNAWJCMRSA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-cyclopentylpropyl)prop-2-enamide
CID 131946890
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 76858426
(E)-3-(2-aminopyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]prop-2-enamide
CID 131924333
(E)-3-naphthalen-1-yl-N-(3-piperidin-1-ylpropyl)prop-2-enamide
CID 58945391
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 131921982) is (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide is Nc1ncc(/C=C/C(=O)NCCCN2CCCC2)cn1.
What is the InChIKey of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is WTLRXVNJQDAOLW-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21N5O/c15-14-17-10-12(11-18-14)4-5-13(20)16-6-3-9-19-7-1-2-8-19/h4-5,10-11H,1-3,6-9H2,(H,16,20)(H2,15,17,18)/b5-4+.
What are the key properties of (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide?
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 275.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminopyrimidin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 131921982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).