N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide

C14H25N5O — CID 80806263

IUPACN-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
SMILESCCCNc1cc(N(CCC)CC(=O)NC)nc(C)n1
InChIInChI=1S/C14H25N5O/c1-5-7-16-12-9-13(18-11(3)17-12)19(8-6-2)10-14(20)15-4/h9H,5-8,10H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyHMXVXGKKQJMNMB-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.57
Rot. Bonds8

About N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide

N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide (PubChem CID 80806263) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
PubChem CID80806263
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
SMILESCCCNc1cc(N(CCC)CC(=O)NC)nc(C)n1
InChIInChI=1S/C14H25N5O/c1-5-7-16-12-9-13(18-11(3)17-12)19(8-6-2)10-14(20)15-4/h9H,5-8,10H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyHMXVXGKKQJMNMB-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
CID 80961853
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide?
The IUPAC name of N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide (CID 80806263) is N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide?
The canonical SMILES for N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide is CCCNc1cc(N(CCC)CC(=O)NC)nc(C)n1.
What is the InChIKey of N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide?
The InChIKey is HMXVXGKKQJMNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-7-16-12-9-13(18-11(3)17-12)19(8-6-2)10-14(20)15-4/h9H,5-8,10H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide?
N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide is sourced from PubChem (CID 80806263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).