N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine

C14H24N4O — CID 95137548

IUPACN,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCCOC[C@H]1CCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C14H24N4O/c1-4-7-19-10-12-5-6-18(9-12)14-8-13(17(2)3)15-11-16-14/h8,11-12H,4-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyTUTMGHQBTURBAB-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.80
Rot. Bonds6

About N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 95137548) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID95137548
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCCOC[C@H]1CCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C14H24N4O/c1-4-7-19-10-12-5-6-18(9-12)14-8-13(17(2)3)15-11-16-14/h8,11-12H,4-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyTUTMGHQBTURBAB-LBPRGKRZSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 171705020
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
6-[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 131658957
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332
6-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 131652378
6-[(4R)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 124813844
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 124819679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 95137548) is N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is CCCOC[C@H]1CCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is TUTMGHQBTURBAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-7-19-10-12-5-6-18(9-12)14-8-13(17(2)3)15-11-16-14/h8,11-12H,4-7,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95137548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).