N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C16H26N4O — CID 106620065

IUPACN-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(N(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C16H26N4O/c1-3-21-15-9-12(2)18-16(19-15)20(10-13-6-7-13)11-14-5-4-8-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3
InChIKeyXGPFJLIHUBVLNA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds7

About N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106620065) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106620065
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(N(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C16H26N4O/c1-3-21-15-9-12(2)18-16(19-15)20(10-13-6-7-13)11-14-5-4-8-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3
InChIKeyXGPFJLIHUBVLNA-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106641392
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620160
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-cyclopropyl-4-methoxy-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640968
N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106621007
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 106620065) is N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is CCOc1cc(C)nc(N(CC2CC2)CC2CCCN2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is XGPFJLIHUBVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-21-15-9-12(2)18-16(19-15)20(10-13-6-7-13)11-14-5-4-8-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106620065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).