N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C14H21N5O — CID 122327457

IUPACN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)C1CC1
InChIInChI=1S/C14H21N5O/c20-14(11-3-4-11)16-6-5-15-12-9-13(18-10-17-12)19-7-1-2-8-19/h9-11H,1-8H2,(H,16,20)(H,15,17,18)
InChIKeyOKAGUPYXRYOPCC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.01
Rot. Bonds6

About N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 122327457) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID122327457
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)C1CC1
InChIInChI=1S/C14H21N5O/c20-14(11-3-4-11)16-6-5-15-12-9-13(18-10-17-12)19-7-1-2-8-19/h9-11H,1-8H2,(H,16,20)(H,15,17,18)
InChIKeyOKAGUPYXRYOPCC-UHFFFAOYSA-N
XLogP1.01
TPSA70.15 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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
CID 71799969
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
3,3,3-trifluoro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327666
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122327576
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122327533

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 122327457) is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1cc(N2CCCC2)ncn1)C1CC1.
What is the InChIKey of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OKAGUPYXRYOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-14(11-3-4-11)16-6-5-15-12-9-13(18-10-17-12)19-7-1-2-8-19/h9-11H,1-8H2,(H,16,20)(H,15,17,18).
What are the key properties of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 122327457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).