2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide

C10H16N4O2 — CID 66329750

IUPAC2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
SMILESCC(C)Oc1cc(NC(C)C(N)=O)ncn1
InChIInChI=1S/C10H16N4O2/c1-6(2)16-9-4-8(12-5-13-9)14-7(3)10(11)15/h4-7H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyQOKDMXCPIWNEAV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.55
Rot. Bonds5

About 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide

2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide (PubChem CID 66329750) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
PubChem CID66329750
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
SMILESCC(C)Oc1cc(NC(C)C(N)=O)ncn1
InChIInChI=1S/C10H16N4O2/c1-6(2)16-9-4-8(12-5-13-9)14-7(3)10(11)15/h4-7H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyQOKDMXCPIWNEAV-UHFFFAOYSA-N
XLogP0.55
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329609
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
4-[(6-propan-2-yloxypyrimidin-4-yl)amino]benzoic acid
CID 66333625
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899
(2S)-2-[[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]amino]propanamide
CID 155201127

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide (CID 66329750) is 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide is CC(C)Oc1cc(NC(C)C(N)=O)ncn1.
What is the InChIKey of 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide?
The InChIKey is QOKDMXCPIWNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)16-9-4-8(12-5-13-9)14-7(3)10(11)15/h4-7H,1-3H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide?
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 66329750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).