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

C14H25N5O — CID 106241594

IUPAC5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCNc1cc(NCCCCC(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-18-11(16-4)9-12(19-13)17-8-6-5-7-10(15)20/h9H,5-8H2,1-4H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyVRLQJAHIVMOQMY-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.88
Rot. Bonds7

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

5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide (PubChem CID 106241594) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
PubChem CID106241594
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCNc1cc(NCCCCC(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-18-11(16-4)9-12(19-13)17-8-6-5-7-10(15)20/h9H,5-8H2,1-4H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyVRLQJAHIVMOQMY-UHFFFAOYSA-N
XLogP1.88
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.88
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-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520

Frequently Asked Questions

What is the IUPAC name of 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide (CID 106241594) is 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide is CNc1cc(NCCCCC(N)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is VRLQJAHIVMOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)13-18-11(16-4)9-12(19-13)17-8-6-5-7-10(15)20/h9H,5-8H2,1-4H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide?
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 279.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 106241594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).