4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

C14H26N4O — CID 107159619

IUPAC4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1nccc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-7-15-13-16-8-6-12(18-13)17-10-11(19)9-14(2,3)4/h6,8,11,19H,5,7,9-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyXJEKLBIIKJKQNS-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.51
Rot. Bonds7

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

4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 107159619) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID107159619
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1nccc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-5-7-15-13-16-8-6-12(18-13)17-10-11(19)9-14(2,3)4/h6,8,11,19H,5,7,9-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyXJEKLBIIKJKQNS-UHFFFAOYSA-N
XLogP2.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159512
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 107159619) is 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCCNc1nccc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is XJEKLBIIKJKQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-7-15-13-16-8-6-12(18-13)17-10-11(19)9-14(2,3)4/h6,8,11,19H,5,7,9-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 107159619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).