(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

C11H19N5O — CID 56709397

IUPAC(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)[C@H](Nc1cc(CCN)ncn1)C(N)=O
InChIInChI=1S/C11H19N5O/c1-7(2)10(11(13)17)16-9-5-8(3-4-12)14-6-15-9/h5-7,10H,3-4,12H2,1-2H3,(H2,13,17)(H,14,15,16)/t10-/m0/s1
InChIKeyHGFCKUIVPDUKBQ-JTQLQIEISA-N
MW237.31 g/mol
LogP-0.10
Rot. Bonds6

About (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 56709397) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID56709397
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)[C@H](Nc1cc(CCN)ncn1)C(N)=O
InChIInChI=1S/C11H19N5O/c1-7(2)10(11(13)17)16-9-5-8(3-4-12)14-6-15-9/h5-7,10H,3-4,12H2,1-2H3,(H2,13,17)(H,14,15,16)/t10-/m0/s1
InChIKeyHGFCKUIVPDUKBQ-JTQLQIEISA-N
XLogP-0.10
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 56708033
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347615
6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 56714969
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
CID 61241478
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
2-[(2-hydrazinyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106347658
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
(2R)-2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 120964740
(2S)-2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 120964365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 56709397) is (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is CC(C)[C@H](Nc1cc(CCN)ncn1)C(N)=O.
What is the InChIKey of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is HGFCKUIVPDUKBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)10(11(13)17)16-9-5-8(3-4-12)14-6-15-9/h5-7,10H,3-4,12H2,1-2H3,(H2,13,17)(H,14,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 237.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 56709397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).