5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide

C13H21N5O — CID 106241630

IUPAC5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCNc1cc(NCCCCC(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-15-11-8-12(16-7-3-2-4-10(14)19)18-13(17-11)9-5-6-9/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyAZAYFVDPOGIXGZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.46
Rot. Bonds8

About 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide

5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide (PubChem CID 106241630) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
PubChem CID106241630
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCNc1cc(NCCCCC(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-15-11-8-12(16-7-3-2-4-10(14)19)18-13(17-11)9-5-6-9/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyAZAYFVDPOGIXGZ-UHFFFAOYSA-N
XLogP1.46
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280746

Frequently Asked Questions

What is the IUPAC name of 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide (CID 106241630) is 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide is CNc1cc(NCCCCC(N)=O)nc(C2CC2)n1.
What is the InChIKey of 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is AZAYFVDPOGIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-15-11-8-12(16-7-3-2-4-10(14)19)18-13(17-11)9-5-6-9/h8-9H,2-7H2,1H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 106241630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).