N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide

C12H19N5O — CID 80849792

IUPACN-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1nccc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-13-12-15-7-5-10(17-12)14-8-6-11(18)16-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,16,18)(H2,13,14,15,17)
InChIKeyOLTYPYWEHULPFE-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.99
Rot. Bonds7

About N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide

N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80849792) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80849792
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1nccc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-13-12-15-7-5-10(17-12)14-8-6-11(18)16-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,16,18)(H2,13,14,15,17)
InChIKeyOLTYPYWEHULPFE-UHFFFAOYSA-N
XLogP0.99
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
N-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]propanamide
CID 79778658
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide (CID 80849792) is N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide is CCNc1nccc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is OLTYPYWEHULPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-13-12-15-7-5-10(17-12)14-8-6-11(18)16-9-3-4-9/h5,7,9H,2-4,6,8H2,1H3,(H,16,18)(H2,13,14,15,17).
What are the key properties of N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide?
N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 249.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80849792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).