N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine

C16H29N5 — CID 83179302

IUPACN,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1nc(N2CCC(N(C)C)C2)ncc1CNCC(C)C
InChIInChI=1S/C16H29N5/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)21-7-6-15(11-21)20(4)5/h10,12,15,17H,6-9,11H2,1-5H3
InChIKeyHCXYEKPDNZBAMT-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.67
Rot. Bonds6

About N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 83179302) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID83179302
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1nc(N2CCC(N(C)C)C2)ncc1CNCC(C)C
InChIInChI=1S/C16H29N5/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)21-7-6-15(11-21)20(4)5/h10,12,15,17H,6-9,11H2,1-5H3
InChIKeyHCXYEKPDNZBAMT-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185385
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
2-methyl-N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 83185230
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 83179272
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83185179
N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 114206549
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine (CID 83179302) is N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine is Cc1nc(N2CCC(N(C)C)C2)ncc1CNCC(C)C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is HCXYEKPDNZBAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)21-7-6-15(11-21)20(4)5/h10,12,15,17H,6-9,11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 83179302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).