N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide

C14H22N4O — CID 78954830

IUPACN-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1cc(NCCCC(=O)NC2CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-10(2)12-8-13(17-9-16-12)15-7-3-4-14(19)18-11-5-6-11/h8-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJABSRVYNVIULSE-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.07
Rot. Bonds7

About N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide

N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide (PubChem CID 78954830) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
PubChem CID78954830
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1cc(NCCCC(=O)NC2CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-10(2)12-8-13(17-9-16-12)15-7-3-4-14(19)18-11-5-6-11/h8-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJABSRVYNVIULSE-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.07
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-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006560
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
CID 63870539
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide (CID 78954830) is N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide is CC(C)c1cc(NCCCC(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The InChIKey is JABSRVYNVIULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)12-8-13(17-9-16-12)15-7-3-4-14(19)18-11-5-6-11/h8-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide?
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide has a molecular weight of 262.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 78954830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).