methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

C15H26N4O2 — CID 80961991

IUPACmethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1cc(NC(C)C(=O)OC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-7-8-16-11-9-12(17-10(2)13(20)21-6)19-14(18-11)15(3,4)5/h9-10H,7-8H2,1-6H3,(H2,16,17,18,19)
InChIKeyNTNJXXCPTWOWAV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.57
Rot. Bonds6

About methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80961991) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80961991
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1cc(NC(C)C(=O)OC)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O2/c1-7-8-16-11-9-12(17-10(2)13(20)21-6)19-14(18-11)15(3,4)5/h9-10H,7-8H2,1-6H3,(H2,16,17,18,19)
InChIKeyNTNJXXCPTWOWAV-UHFFFAOYSA-N
XLogP2.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate with MolForge

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Related Compounds

2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (CID 80961991) is methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is CCCNc1cc(NC(C)C(=O)OC)nc(C(C)(C)C)n1.
What is the InChIKey of methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is NTNJXXCPTWOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-7-8-16-11-9-12(17-10(2)13(20)21-6)19-14(18-11)15(3,4)5/h9-10H,7-8H2,1-6H3,(H2,16,17,18,19).
What are the key properties of methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate has a molecular weight of 294.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80961991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).