1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

C14H26N4O — CID 80957681

IUPAC1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-7-15-12-8-13(18(5)9-11(4)19)17-14(16-12)10(2)3/h8,10-11,19H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyRFQYGCMTRDBUEE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.24
Rot. Bonds7

About 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80957681) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80957681
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-7-15-12-8-13(18(5)9-11(4)19)17-14(16-12)10(2)3/h8,10-11,19H,6-7,9H2,1-5H3,(H,15,16,17)
InChIKeyRFQYGCMTRDBUEE-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 86807821
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960250
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80957681) is 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is CCCNc1cc(N(C)CC(C)O)nc(C(C)C)n1.
What is the InChIKey of 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is RFQYGCMTRDBUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-15-12-8-13(18(5)9-11(4)19)17-14(16-12)10(2)3/h8,10-11,19H,6-7,9H2,1-5H3,(H,15,16,17).
What are the key properties of 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80957681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).