2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

C11H18ClN5O — CID 106347504

IUPAC2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncc(Cl)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H18ClN5O/c1-4-14-11-15-5-7(12)10(17-11)16-8(6(2)3)9(13)18/h5-6,8H,4H2,1-3H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyXMIYCEXXJFFJIY-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.48
Rot. Bonds6

About 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106347504) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106347504
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCCNc1ncc(Cl)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H18ClN5O/c1-4-14-11-15-5-7(12)10(17-11)16-8(6(2)3)9(13)18/h5-6,8H,4H2,1-3H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyXMIYCEXXJFFJIY-UHFFFAOYSA-N
XLogP1.48
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106347504) is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is CCNc1ncc(Cl)c(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is XMIYCEXXJFFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-4-14-11-15-5-7(12)10(17-11)16-8(6(2)3)9(13)18/h5-6,8H,4H2,1-3H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 271.75 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106347504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).