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

C16H28N4O — CID 80943445

IUPAC3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(N(C)CC2CC(O)C2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-7-5-2)10-16(19-14)20(3)11-12-8-13(21)9-12/h10,12-13,21H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyHNVSGPNPIOHBBV-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds8

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

3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 80943445) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
PubChem CID80943445
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(N(C)CC2CC(O)C2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-7-5-2)10-16(19-14)20(3)11-12-8-13(21)9-12/h10,12-13,21H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyHNVSGPNPIOHBBV-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592
3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 80856494
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol (CID 80943445) is 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is CCCNc1cc(N(C)CC2CC(O)C2)nc(CCC)n1.
What is the InChIKey of 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is HNVSGPNPIOHBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-14-18-15(17-7-5-2)10-16(19-14)20(3)11-12-8-13(21)9-12/h10,12-13,21H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol?
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80943445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).