1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C14H26N4O — CID 107159526

IUPAC1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCCc1nc(N)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-6-12-17-11(15)7-13(18-12)16-9-10(19)8-14(2,3)4/h7,10,19H,5-6,8-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyXJTMDMOBPDQRIF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.22
Rot. Bonds6

About 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159526) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107159526
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCCc1nc(N)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-6-12-17-11(15)7-13(18-12)16-9-10(19)8-14(2,3)4/h7,10,19H,5-6,8-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyXJTMDMOBPDQRIF-UHFFFAOYSA-N
XLogP2.22
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
4-N-(3-methoxy-2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954546
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
2-propylpyrimidine-4,6-diamine
CID 67304918

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107159526) is 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CCCc1nc(N)cc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is XJTMDMOBPDQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-6-12-17-11(15)7-13(18-12)16-9-10(19)8-14(2,3)4/h7,10,19H,5-6,8-9H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).