3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

C11H21N5O2 — CID 80850772

IUPAC3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCNc1cc(NCC(C)(O)CO)nc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-4-13-8-5-9(16-10(12)15-8)14-6-11(2,18)7-17/h5,17-18H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyAFKBIBXHILQHSO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.04
Rot. Bonds7

About 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (PubChem CID 80850772) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
PubChem CID80850772
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCNc1cc(NCC(C)(O)CO)nc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-4-13-8-5-9(16-10(12)15-8)14-6-11(2,18)7-17/h5,17-18H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyAFKBIBXHILQHSO-UHFFFAOYSA-N
XLogP0.04
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257948
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 113479527
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (CID 80850772) is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is CCCNc1cc(NCC(C)(O)CO)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The InChIKey is AFKBIBXHILQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-4-13-8-5-9(16-10(12)15-8)14-6-11(2,18)7-17/h5,17-18H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol has a molecular weight of 255.32 g/mol, XLogP of 0.04, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80850772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).