(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide

C12H21N5O — CID 97207519

IUPAC(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide
SMILESCCC[C@H](Nc1nc(N)ncc1CC)C(=O)NC
InChIInChI=1S/C12H21N5O/c1-4-6-9(11(18)14-3)16-10-8(5-2)7-15-12(13)17-10/h7,9H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17)/t9-/m0/s1
InChIKeyZRRMQVLBDSOYGR-VIFPVBQESA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds6

About (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide

(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide (PubChem CID 97207519) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide
PubChem CID97207519
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide
SMILESCCC[C@H](Nc1nc(N)ncc1CC)C(=O)NC
InChIInChI=1S/C12H21N5O/c1-4-6-9(11(18)14-3)16-10-8(5-2)7-15-12(13)17-10/h7,9H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17)/t9-/m0/s1
InChIKeyZRRMQVLBDSOYGR-VIFPVBQESA-N
XLogP0.95
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide?
The IUPAC name of (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide (CID 97207519) is (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide?
The canonical SMILES for (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide is CCC[C@H](Nc1nc(N)ncc1CC)C(=O)NC.
What is the InChIKey of (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide?
The InChIKey is ZRRMQVLBDSOYGR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-9(11(18)14-3)16-10-8(5-2)7-15-12(13)17-10/h7,9H,4-6H2,1-3H3,(H,14,18)(H3,13,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide?
(2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-N-methylpentanamide is sourced from PubChem (CID 97207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).