2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C13H22N4O — CID 114632888

IUPAC2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-14-11-7-12(16-8-15-11)17-9-6-10(18)13(9,2)3/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyREJVBMNSJLJSCW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.87
Rot. Bonds5

About 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 114632888) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID114632888
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-14-11-7-12(16-8-15-11)17-9-6-10(18)13(9,2)3/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyREJVBMNSJLJSCW-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 113491390
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632842
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine
CID 114632109
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 114632888) is 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1cc(NC2CC(O)C2(C)C)ncn1.
What is the InChIKey of 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is REJVBMNSJLJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-14-11-7-12(16-8-15-11)17-9-6-10(18)13(9,2)3/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114632888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).