2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide

C12H21N5O2 — CID 106344020

IUPAC2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)Oc1ncnc(NC(C(N)=O)C(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-6(2)9(10(14)18)17-11-8(13)12(16-5-15-11)19-7(3)4/h5-7,9H,13H2,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyRCBBPOFQXZMJPR-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.77
Rot. Bonds6

About 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide

2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106344020) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106344020
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)Oc1ncnc(NC(C(N)=O)C(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-6(2)9(10(14)18)17-11-8(13)12(16-5-15-11)19-7(3)4/h5-7,9H,13H2,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyRCBBPOFQXZMJPR-UHFFFAOYSA-N
XLogP0.77
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
4-N-(3-methylbut-2-enyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 106182572
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
1-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244013
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(3-bromo-5-methoxyphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 82859543
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide (CID 106344020) is 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)Oc1ncnc(NC(C(N)=O)C(C)C)c1N.
What is the InChIKey of 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is RCBBPOFQXZMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-6(2)9(10(14)18)17-11-8(13)12(16-5-15-11)19-7(3)4/h5-7,9H,13H2,1-4H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 267.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106344020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).