N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide

C11H16N4O — CID 79385382

IUPACN-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccncn1)NC1CC1
InChIInChI=1S/C11H16N4O/c16-11(15-9-1-2-9)4-6-12-7-10-3-5-13-8-14-10/h3,5,8-9,12H,1-2,4,6-7H2,(H,15,16)
InChIKeyNGATVSWDKKQKFB-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.23
Rot. Bonds6

About N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide

N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide (PubChem CID 79385382) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide
PubChem CID79385382
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccncn1)NC1CC1
InChIInChI=1S/C11H16N4O/c16-11(15-9-1-2-9)4-6-12-7-10-3-5-13-8-14-10/h3,5,8-9,12H,1-2,4,6-7H2,(H,15,16)
InChIKeyNGATVSWDKKQKFB-UHFFFAOYSA-N
XLogP0.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
N-(1,1-dioxothiolan-3-yl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109023938
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide (CID 79385382) is N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide is O=C(CCNCc1ccncn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide?
The InChIKey is NGATVSWDKKQKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(15-9-1-2-9)4-6-12-7-10-3-5-13-8-14-10/h3,5,8-9,12H,1-2,4,6-7H2,(H,15,16).
What are the key properties of N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide?
N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide has a molecular weight of 220.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide is sourced from PubChem (CID 79385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).