1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

C13H25N5O2 — CID 106257948

IUPAC1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCCNc1cc(NCC(C)(O)CCOC)nc(N)n1
InChIInChI=1S/C13H25N5O2/c1-4-6-15-10-8-11(18-12(14)17-10)16-9-13(2,19)5-7-20-3/h8,19H,4-7,9H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyDVPSQXMKISWHQA-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.08
Rot. Bonds9

About 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257948) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257948
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCCNc1cc(NCC(C)(O)CCOC)nc(N)n1
InChIInChI=1S/C13H25N5O2/c1-4-6-15-10-8-11(18-12(14)17-10)16-9-13(2,19)5-7-20-3/h8,19H,4-7,9H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyDVPSQXMKISWHQA-UHFFFAOYSA-N
XLogP1.08
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (CID 106257948) is 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is CCCNc1cc(NCC(C)(O)CCOC)nc(N)n1.
What is the InChIKey of 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is DVPSQXMKISWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-4-6-15-10-8-11(18-12(14)17-10)16-9-13(2,19)5-7-20-3/h8,19H,4-7,9H2,1-3H3,(H4,14,15,16,17,18).
What are the key properties of 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 283.38 g/mol, XLogP of 1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).